Vitas-M small molecule compound
methyl {[6-methyl-4-(4-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate
Catalog ID
STK531200
SMILES COC(=O)CSc1nnc2n1c1sc3c(c1c(=O)n2c1ccc(cc1)C)C(C)CCC3
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H22N4O3S2 MW 454.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S2/c1-12-7-9-14(10-8-12)25-19(28)18-17-13(2)5-4-6-15(17)31-20(18)26-21(25)23-24-22(26)30-11-16(27)29-3/h7-10,13H,4-6,11H2,1-3H3InChIKey
QMCITVZUKDNFOF-UHFFFAOYSA-NSynonyms
CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC(=O)OC)N(C3=O)C5=CC=C(C=C5)C
InChI=1SC22H22N4O3S2c1127914(10812)2519(28)181713(2)54615(17)3120(18)2621(25)232422(26)301116(27)293h71013H4611H213H3
methyl((6methyl4(4methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((6methyl5oxo4(ptolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD02997121
ZINC000002305875
ZINC000002305876
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